Publications (21)
NMR shifts for polycyclic aromatic hydrocarbons from first-principles
T. Thonhauser, D. Ceresoli, N. Marzari
The NaCl(100) Surface: Why Does it Not Melt?
T. Zykova-Timan, U. Tartaglino, D. Ceresoli +1
Playing quantum hide-and-seek with the muon: localizing muon stopping sites
J. S. Möller, P. BonfÃ, D. Ceresoli +8
An ab-initio converse NMR approach for pseudopotentials
D. Ceresoli, N. Marzari, G. Lopez +1
Elastic constants and thermodynamics properties of pristine PEDOT revealed: A first-principles PBE/PBE PAW approach
R. O. Agbaoye, P. O. Adebambo, J. O. Akinlami +4
Why Are Alkali Halide Solid Surfaces Not Wetted By Their Own Melt?
T. Zykova-Timan, D. Ceresoli, U. Tartaglino +1
Quantum states of muons in fluorides
J. S. Möller, D. Ceresoli, T. Lancaster +2
A converse approach to the calculation of NMR shielding tensors
T. Thonhauser, D. Ceresoli, Arash A. Mostofi +3
AFLOW$Ï$: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians
A. R. Supka, T. E. Lyons, L. Liyanage +10
Physics and Nanofriction of Alkali Halide Solid Surfaces at the Melting Point
T. Zykova-Timan, D. Ceresoli, U. Tartaglino +1
Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
P. Giannozzi, S. Baroni, N. Bonini +30
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Alkali Halide Surfaces Near Melting: Wetting and Nanofriction Properties
D. Ceresoli, T. Zykova-Timan, U. Tartaglino +1
Peak Effect versus Skating in High Temperature Nanofriction
T. Zykova-Timan, D. Ceresoli, E. Tosatti
Exciton self-trapping in bulk polyethylene
D. Ceresoli, M. C. Righi, E. Tosatti +3
Spin diffusion in the low-dimensional molecular quantum Heisenberg antiferromagnet Cu(pyz)(NO$_{3}$)$_{2}$ detected with implanted muons
F. Xiao, J. S. Möller, T. Lancaster +6
Electron-Stimulated Emission of Na Atoms from NaCl Nanocube Corners
D. Ceresoli, T. Zykova-Timan, E. Tosatti
NaCl nanodroplet on NaCl(100) at the melting point
T. Zykova-Timan, U. Tartaglino, D. Ceresoli +2
Physics of Solid and Liquid Alkali Halide Surfaces Near the Melting Point
T. Zykova-Timan, D. Ceresoli, U. Tartaglino +1
Electron corrected Lorentz forces in solids and molecules in magnetic field
D. Ceresoli, R. Marchetti, E. Tosatti
Orbital magnetization and Chern number in a supercell framework: Single k-point formula
D. Ceresoli, R. Resta